Geometry & MOs

Info

ID:	307660
PubChem CID:	125307940
Reduced:	ClN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	493.053291
ΔH_f, kcal/mol:	-38.08
Dipole, Da:	4.39
IP(EA), eV:	-9.0(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[[(5S)-5-(4-ethylphenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3)C

DOS

IR

Vibrations